(9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride

C100H89ClF3N27O8 — CID 158415693

About (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride

(9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride (PubChem CID 158415693) has the molecular formula C100H89ClF3N27O8 and a molecular weight of 1889.44 g/mol. Its IUPAC name is (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride
• PubChem CID: 158415693
• Molecular Formula: C100H89ClF3N27O8
• Molecular Weight: 1889.44 g/mol
• Exact Mass: 1887.70
• IUPAC Name: (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride
• SMILES: Cc1cc(-c2ccc3c(c2)N(C(=O)Nc2cc(-c4cnc(C)o4)ccn2)[C@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnc(C)o4)ccn2)[C@@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4coc(C)n4)ccn2)[C@H]2CCN3C2)ccn1.Cl.O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2
• InChI: InChI=1S/C26H24N6O2.2C25H23N7O2.C24H18F3N7O2.ClH/c1-16-11-19(5-8-27-16)18-3-4-22-23(12-18)32(21-7-10-31(22)15-21)26(33)30-25-13-20(6-9-28-25)24-14-29-17(2)34-24;1-15-11-17(5-8-26-15)20-3-4-21-24(29-20)32(19-7-10-31(21)14-19)25(33)30-23-12-18(6-9-27-23)22-13-28-16(2)34-22;1-15-11-17(5-8-26-15)20-3-4-22-24(29-20)32(19-7-10-31(22)13-19)25(33)30-23-12-18(6-9-27-23)21-14-34-16(2)28-21;25-24(26,27)20-9-14(3-6-29-20)17-1-2-18-22(31-17)34(16-5-8-33(18)12-16)23(35)32-21-10-15(4-7-30-21)19-11-28-13-36-19;/h3-6,8-9,11-14,21H,7,10,15H2,1-2H3,(H,28,30,33);3-6,8-9,11-13,19H,7,10,14H2,1-2H3,(H,27,30,33);3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3,(H,27,30,33);1-4,6-7,9-11,13,16H,5,8,12H2,(H,30,32,35);1H/t21-;2*19-;16-;/m0100./s1
• InChIKey: DWYQBAYTWASMEK-HFDNBNPTSA-N
• XLogP: 19.19
• TPSA: 388.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1889.44
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride?

The IUPAC name of (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride (CID 158415693) is (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride.

What is the SMILES notation for (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride?

The canonical SMILES for (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride is Cc1cc(-c2ccc3c(c2)N(C(=O)Nc2cc(-c4cnc(C)o4)ccn2)[C@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnc(C)o4)ccn2)[C@@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4coc(C)n4)ccn2)[C@H]2CCN3C2)ccn1.Cl.O=C(Nc1cc(-c2cnco2)ccn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2.

What is the InChIKey of (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride?

The InChIKey is DWYQBAYTWASMEK-HFDNBNPTSA-N. The full InChI is InChI=1S/C26H24N6O2.2C25H23N7O2.C24H18F3N7O2.ClH/c1-16-11-19(5-8-27-16)18-3-4-22-23(12-18)32(21-7-10-31(22)15-21)26(33)30-25-13-20(6-9-28-25)24-14-29-17(2)34-24;1-15-11-17(5-8-26-15)20-3-4-21-24(29-20)32(19-7-10-31(21)14-19)25(33)30-23-12-18(6-9-27-23)22-13-28-16(2)34-22;1-15-11-17(5-8-26-15)20-3-4-22-24(29-20)32(19-7-10-31(22)13-19)25(33)30-23-12-18(6-9-27-23)21-14-34-16(2)28-21;25-24(26,27)20-9-14(3-6-29-20)17-1-2-18-22(31-17)34(16-5-8-33(18)12-16)23(35)32-21-10-15(4-7-30-21)19-11-28-13-36-19;/h3-6,8-9,11-14,21H,7,10,15H2,1-2H3,(H,28,30,33);3-6,8-9,11-13,19H,7,10,14H2,1-2H3,(H,27,30,33);3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3,(H,27,30,33);1-4,6-7,9-11,13,16H,5,8,12H2,(H,30,32,35);1H/t21-;2*19-;16-;/m0100./s1.

What are the key properties of (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride?

(9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride has a molecular weight of 1889.44 g/mol, XLogP of 19.19, 12 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (9S)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(2-methyl-1,3-oxazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9R)-N-[4-(2-methyl-1,3-oxazol-5-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1,3-oxazol-5-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;hydrochloride is sourced from PubChem (CID 158415693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).